4-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-2-one

Systemtic Name: 4-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-2-one Openeye Name: 4-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: 4-[2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]-2-piperazin-4-iumone IUPAC Name: 4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: 4-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]piperazin-4-ium-2-one Formula: C15H22N3O2+ MolecularWeight: 276.35408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)C[NH+]3CCNC(=O)C3

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C15H21N3O2/c1-10-7-13(11(2)18(10)12-3-4-12)14(19)8-17-6-5-16-15(20)9-17/h7,12H,3-6,8-9H2,1-2H3,(H,16,20)/p+1